[(E)-4-(6-ethoxycarbonyl-2,6-dimethyl-3-oxidanylidene-cyclohexen-1-yl)but-3-en-2-yl]-triphenyl-phosphanium

Systemtic Name: [(E)-4-(6-ethoxycarbonyl-2,6-dimethyl-3-oxidanylidene-cyclohexen-1-yl)but-3-en-2-yl]-triphenyl-phosphanium Openeye Name: [(E)-3-(6-ethoxycarbonyl-2,6-dimethyl-3-oxo-cyclohexen-1-yl)-1-methyl-allyl]-triphenyl-phosphonium CAS Name: [(E)-4-(6-ethoxycarbonyl-2,6-dimethyl-3-oxo-1-cyclohexenyl)but-3-en-2-yl]-triphenylphosphonium IUPAC Name: [(E)-4-(6-ethoxycarbonyl-2,6-dimethyl-3-oxocyclohexen-1-yl)but-3-en-2-yl]-triphenylphosphanium Traditional Name: [(E)-3-(6-carbethoxy-3-keto-2,6-dimethyl-cyclohexen-1-yl)-1-methyl-allyl]-triphenyl-phosphonium Formula: C33H36O3P+ MolecularWeight: 511.610901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(=O)C(=C1C=CC(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1(CCC(=O)C(=C1/C=C/C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C33H36O3P/c1-5-36-32(35)33(4)24-23-31(34)26(3)30(33)22-21-25(2)37(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-22,25H,5,23-24H2,1-4H3/q+1/b22-21+